SCHEMBL1644890

SCHEMBL1644890

COC(=O)C(C#N)=CC(C)=CN(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
APP P05067 2/20 0.39
RAB9A P51151 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SNCA P37840 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1644889 1.00 CYP2C9 (0.47) CYP2C9APPRAB9AL3MBTL1ALDH1A1
SCHEMBL9870540 1.00 CYP2C9 (0.47) CYP2C9APPRAB9AL3MBTL1ALDH1A1
SCHEMBL1911789 0.83 CYP2C9 (0.65) CYP2C9APPRAB9AL3MBTL1ALDH1A1
SCHEMBL28620916 0.83 CYP2C9 (0.65) CYP2C9APPRAB9AL3MBTL1ALDH1A1
SCHEMBL13123104 0.83 CYP2C9 (0.65) CYP2C9APPRAB9AL3MBTL1ALDH1A1
SCHEMBL11192294 0.80 CYP2C9 (0.43) CYP2C9RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL14279177 0.76 MAPT (0.42) CYP2C9APPL3MBTL1ALDH1A1KMT2A
SCHEMBL7188819 0.74 ADORA2A (0.41) CYP2C9APPRAB9AL3MBTL1ALDH1A1
SCHEMBL18655709 0.72
SCHEMBL7618854 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314295-B1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX INC (CA) 2015-01-28 EP disclosed
US-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 US disclosed
EP-2314295-A1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices Resverlogix, Inc (CA) 2011-04-27 EP disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 US disclosed
US-5405826-A Herbicidal pyridopyridazinones and pyridopyridazinethiones RHONE POULENC AGRICULTURE LIMITED (GB) 1995-04-11 US disclosed
US-5393730-A Preemergence, postemergence herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1995-02-28 US disclosed
EP-0606843-A1 Nicotinic acid derivative RHONE POULENC AGRICULTURE LTD. (GB) 1994-07-20 EP disclosed
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP disclosed
US-4987232-A ONE POT, GOOD YIELD SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B.V. (NL) 1991-01-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 CYP2C9 3395/4885APP 430/4885RAB9A 4410/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.